[4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]cyclohexyl] 2-fluoranylheptanoate

Systemtic Name: [4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]cyclohexyl] 2-fluoranylheptanoate Openeye Name: [4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]cyclohexyl] 2-fluoroheptanoate CAS Name: 2-fluoroheptanoic acid [4-[[4-(5-nonyl-2-pyrimidinyl)phenoxy]methyl]cyclohexyl] ester IUPAC Name: [4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]cyclohexyl] 2-fluoroheptanoate Traditional Name: 2-fluoroenanthic acid [4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]cyclohexyl] ester Formula: C33H49FN2O3 MolecularWeight: 540.752163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CCC(CC3)OC(=O)C(CCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3CCC(CC3)OC(=O)C(CCCCC)F

InChI

InChI=1S/C33H49FN2O3/c1-3-5-7-8-9-10-12-13-27-23-35-32(36-24-27)28-17-21-29(22-18-28)38-25-26-15-19-30(20-16-26)39-33(37)31(34)14-11-6-4-2/h17-18,21-24,26,30-31H,3-16,19-20,25H2,1-2H3